4-(Trifluoromethyl)benzophenone(728-86-9) 13C NMR
Product Name4-(Trifluoromethyl)benzophenone
CAS728-86-9
Molecular FormulaC14H9F3O
Molecular Weight250.22
InChIInChI=1S/C14H9F3O/c15-14(16,17)12-8-6-11(7-9-12)13(18)10-4-2-1-3-5-10/h1-9H
InChIKey OHTYZZYAMUVKQS-UHFFFAOYSA-N
SmilesC(C1=CC=CC=C1)(C1=CC=C(C(F)(F)F)C=C1)=O
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MassMS-NW-8833 4-(trifluoromethyl)benzophenone C14H9F3O (Mass of molecular ion: 250)
Source Temperature: 280 °C Sample Temperature: 150 °C Reservoir, 75 eV
50.0 3.1 51.0 10.6 75.0 3.0 76.0 2.6 77.0 35.3 78.0 2.9 95.0 4.5 104.0 1.4 105.0 100.0 106.0 7.7 125.0 2.6 126.0 1.6 145.0 25.7 146.0 2.0 152.0 2.0 173.0 25.9 174.0 2.3 180.0 2.8 181.0 5.3 201.0 1.3 231.0 3.0 248.0 1.5 249.0 1.3 250.0 36.9 251.0 5.8
400 MHz in CDCl3
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1H NMR 399.65 MHz C14 H9 F3 O 0.040 g : 0.5 ml CDCl3 4-(trifluoromethyl)benzophenone 
Assign. Shift(ppm)
A 7.895 B 7.809 C 7.756 D 7.628 E 7.512
Hz ppm Int.3160.52 7.909 535 3159.79 7.907 641 3151.86 7.887 815 3151.12 7.885 727 3127.32 7.826 124 3125.61 7.821 676 3125.00 7.820 573 3124.39 7.818 852 3123.17 7.815 350 3119.38 7.806 276 3117.31 7.801 1000 3115.97 7.797 906 3104.49 7.769 761 3103.88 7.767 877 3096.44 7.748 510 3095.70 7.747 675 3095.09 7.745 579 3058.96 7.655 120 3057.62 7.651 231 3056.27 7.648 132 3053.71 7.641 30 3052.12 7.637 168 3050.17 7.633 509 3048.34 7.628 181 3046.63 7.624 35 3044.07 7.617 245 3042.72 7.614 418 3041.38 7.611 217 3010.74 7.534 162 3009.16 7.530 660 3007.57 7.526 299 3001.22 7.510 891 2999.88 7.507 298 2995.61 7.496 203 2993.90 7.492 449 2993.29 7.490 327 2992.43 7.488 139
in CDCl3
KBr disc
nujol mull
